[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol

C16H14ClN3O — CID 42634800

IUPAC[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESOCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
InChIInChI=1S/C16H14ClN3O/c17-13-5-3-12(4-6-13)16(7-8-16)15-19-18-14-11(10-21)2-1-9-20(14)15/h1-6,9,21H,7-8,10H2
InChIKeyQHHUTGUKHPGDBA-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.95
Rot. Bonds3

About [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol

[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (PubChem CID 42634800) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
PubChem CID42634800
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESOCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
InChIInChI=1S/C16H14ClN3O/c17-13-5-3-12(4-6-13)16(7-8-16)15-19-18-14-11(10-21)2-1-9-20(14)15/h1-6,9,21H,7-8,10H2
InChIKeyQHHUTGUKHPGDBA-UHFFFAOYSA-N
XLogP2.95
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol with MolForge

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Related Compounds

Bms-823778
CID 54669979
2-(3-(1-(4-Chlorophenyl)cyclopropyl)-(1,2,4)triazolo(4,3-a)pyridin-8-yl)propan-2-ol
CID 42634627
3-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-methylbutan-1-ol
CID 57652306
3-[1-(4-Chlorophenyl)cyclopropyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 91039859
3-[1-(4-Chlorophenyl)cyclopropyl]-8-Cyclopropyl[1,2,4]triazolo[4,3-A]pyridine
CID 118709259
3-Cycloheptyl-8-[(2,6-dichlorophenyl)methoxymethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 15953421
1-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethane-1,2-diol
CID 42634126
3-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
CID 42634797
[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-cyclopropylmethanol
CID 42634801
4-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-methylbutan-2-ol
CID 42634802
3-[1-(4-Chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 118709260
3-[1-(4-Chlorophenyl)cyclopropyl]-8-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
CID 118709258

Frequently Asked Questions

What is the IUPAC name of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The IUPAC name of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (CID 42634800) is [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.
What is the SMILES notation for [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The canonical SMILES for [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is OCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.
What is the InChIKey of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The InChIKey is QHHUTGUKHPGDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-5-3-12(4-6-13)16(7-8-16)15-19-18-14-11(10-21)2-1-9-20(14)15/h1-6,9,21H,7-8,10H2.
What are the key properties of [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
[3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol has a molecular weight of 299.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(4-chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is sourced from PubChem (CID 42634800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).